(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C24H26N6O2 — CID 118869643

IUPAC(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C24H26N6O2/c1-15(2)32-24-18(5-4-8-26-24)19-13-21(30-11-12-31-14-16(30)3)28-22-17(19)6-9-25-23(22)20-7-10-27-29-20/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,27,29)/t16-/m1/s1
InChIKeyOVYWESNCOVSGGL-MRXNPFEDSA-N
MW430.51 g/mol
LogP4.09
Rot. Bonds5

About (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869643) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869643
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C24H26N6O2/c1-15(2)32-24-18(5-4-8-26-24)19-13-21(30-11-12-31-14-16(30)3)28-22-17(19)6-9-25-23(22)20-7-10-27-29-20/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,27,29)/t16-/m1/s1
InChIKeyOVYWESNCOVSGGL-MRXNPFEDSA-N
XLogP4.09
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869643) is (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is OVYWESNCOVSGGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(2)32-24-18(5-4-8-26-24)19-13-21(30-11-12-31-14-16(30)3)28-22-17(19)6-9-25-23(22)20-7-10-27-29-20/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,27,29)/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 430.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).